4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride

C16H31ClN2O3 — CID 120937132

IUPAC4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H30N2O3.ClH/c1-12(2)14-13(4-3-7-21-14)10-18-15(19)16(11-17)5-8-20-9-6-16;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H
InChIKeyOPDCCXFLAKORKC-UHFFFAOYSA-N
MW334.89 g/mol
LogP1.73
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120937132) has the molecular formula C16H31ClN2O3 and a molecular weight of 334.89 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120937132
Molecular FormulaC16H31ClN2O3
Molecular Weight334.89 g/mol
Exact Mass334.20
IUPAC Name4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H30N2O3.ClH/c1-12(2)14-13(4-3-7-21-14)10-18-15(19)16(11-17)5-8-20-9-6-16;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H
InChIKeyOPDCCXFLAKORKC-UHFFFAOYSA-N
XLogP1.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120937422
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
CID 120937423
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride (CID 120937132) is 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride is CC(C)C1OCCCC1CNC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is OPDCCXFLAKORKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3.ClH/c1-12(2)14-13(4-3-7-21-14)10-18-15(19)16(11-17)5-8-20-9-6-16;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120937132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).